SCHEMBL1799952

SCHEMBL1799952

C1=CC(n2cc(-c3nccs3)c3cccnc32)CCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.33
ADRA1A P35348 2/20 0.32
ADRA1D P25100 1/20 0.32
CDK1 P06493 3/20 0.31
CCNB1 P14635 3/20 0.31
CCNB2 O95067 2/20 0.31
CCNB3 Q8WWL7 2/20 0.31
ADRA2A P08913 1/20 0.31
ADK P55263 1/20 0.31
GSK3B P49841 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1802880 0.79 CDK1 (0.39) SLC2A1ADRA1ACDK1CCNB1CCNB2
SCHEMBL1799236 0.74 CDK1 (0.36) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL1796421 0.69 SLC2A1 (0.43) SLC2A1
SCHEMBL1800468 0.66 PTGDR2 (0.37)
SCHEMBL1800464 0.64 HTR6 (0.33)
SCHEMBL1150164 0.63 SLC2A1 (0.47) SLC2A1
SCHEMBL29606686 0.63 HTR6 (0.51)
SCHEMBL2752494 0.61 BRD4 (0.42)
SCHEMBL1723806 0.61 PARP1 (0.40) SLC2A1
1-Methylcamalexin SCHEMBL29934287 0.61 KDR (0.51) CDK1CCNB1GSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 SLC2A1 4062/4885ADRA1A 2635/4885ADRA1D 2829/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.